trifluoroindigane trihydrate

• ChemBase ID: 145840
• Molecular Formular: F3H6InO3
• Molecular Mass: 225.8590496
• Monoisotopic Mass: 225.93078171
• SMILES: O.O.O.F[In](F)F
• Canonical SMILES: F[In](F)F.O.O.O
• InChI: InChI=1S/3FH.In.3H2O/h3*1H;;3*1H2/q;;;+3;;;/p-3
• InChIKey: FRJQEDQNNQVYRT-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoroindigane trihydrate
• IUPAC Traditional name: trifluoroindigane trihydrate
• Synonyms: Indium(III) fluoride trihydrate; 氟化铟(III) 三水合物

Database IDs

• CAS Number: 14166-78-0
• EC Number: 232-005-0
• MDL Number: MFCD00150242
• PubChem SID: 24867275; 162240042
• PubChem CID: 71311190

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0275
• LogD (pH = 7.4): 1.0275
• Log P: 1.0275
• Molar Refractivity: 4.5039 cm^3
• Polarizability: 6.5785794 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: slightly soluble
• Apperance: powder and chunks

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 31-36/37/38
• Safety Statements: 22-26-36/37/39-45
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Purity: 99%
• Linear Formula: InF3 · 3H2O

DETAILS

Sigma Aldrich - 436054

Packaging
5 g in poly bottle
Application
Promotes chemoselective addition of TMSCN to aldehydes forming the respective cyanohydrins.1